1-[2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenyl-ethyl]-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenyl-ethyl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenyl-ethyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[2-[(3,5-dimethylphenyl)methylthio]-1-phenylethyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenylethyl]-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-[2-[(3,5-dimethylbenzyl)thio]-1-phenyl-ethyl]-4-tosyl-piperazine Formula: C28H34N2O2S2 MolecularWeight: 494.71176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(CSCC3=CC(=CC(=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(CSCC3=CC(=CC(=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H34N2O2S2/c1-22-9-11-27(12-10-22)34(31,32)30-15-13-29(14-16-30)28(26-7-5-4-6-8-26)21-33-20-25-18-23(2)17-24(3)19-25/h4-12,17-19,28H,13-16,20-21H2,1-3H3